SCHEMBL6306089

SCHEMBL6306089

COc1cccc(C(=O)O)c1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
HTT P42858 2/20 0.57
MAPT P10636 5/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 2/20 0.54
AKR1C3 P42330 1/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 3/20 0.53
NPC1 O15118 3/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HPGD P15428 2/20 0.51
ESR1 P03372 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7454965 0.89 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL26187321 0.89 AKR1C3 (0.58) CA12CA1CA2CA7CA9
SCHEMBL9212298 0.88 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL9467809 0.87 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL29547019 0.85 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL383873 0.85 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL7287255 0.82 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL50229 0.82 MAPT (0.64) HTTMAPTRAB9AALDH1A1AKR1C3
SCHEMBL29573531 0.82 MAPT (0.64) HTTMAPTRAB9AALDH1A1AKR1C3
SCHEMBL165213 0.81 AKR1C3 (0.71) CA12CA1CA2CA7CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4093577-A ESTERIFYING WITH AN UNSATURATED FATTY ACID A RESIN PRODUCED FROM A DIALKYLAMINOBENZOIC ACID OR A CARBOXY-CONTAINING BENZOPHENONE WITH A POLYBASIC ACID AND A POLYHYDRIC ALCOHOL TOYO INK MANUFACTURING CO., LTD. (JA) 1978-06-06 US claimed
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO disclosed
EP-0127203-B1 NEW PHTHALIDE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND RECORDING SYSTEM UTILIZING THE SAME AS COLOURLESS CHROMOGENIC MATERIAL KANZAKI PAPER MANUFACTURING CO., LTD (JP) 1989-06-28 EP disclosed
US-4093577-A ESTERIFYING WITH AN UNSATURATED FATTY ACID A RESIN PRODUCED FROM A DIALKYLAMINOBENZOIC ACID OR A CARBOXY-CONTAINING BENZOPHENONE WITH A POLYBASIC ACID AND A POLYHYDRIC ALCOHOL TOYO INK MANUFACTURING CO., LTD. (JA) 1978-06-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 CA12 4815/4885CA1 4225/4885CA2 4227/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.